alpha-[(4-Bromophenyl)amino]benzeneacetic acid

Base Information

• Chemical Name: alpha-[(4-Bromophenyl)amino]benzeneacetic acid
• CAS No.: 60561-76-4
• Molecular Formula: C₁₄H₁₂BrNO₂
• Molecular Weight: 306.159
• DSSTox Substance ID: DTXSID201265914
• Mol file: 60561-76-4.mol

Synonyms:alpha-[(4-Bromophenyl)amino]benzeneacetic acid;SCHEMBL7583413;DTXSID201265914;AKOS005798035;60561-76-4

Chemical Property of alpha-[(4-Bromophenyl)amino]benzeneacetic acid

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 305.00514
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)Br

Technology Process of alpha-[(4-Bromophenyl)amino]benzeneacetic acid

There total 5 articles about alpha-[(4-Bromophenyl)amino]benzeneacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

2-(4-bromophenyl)-2-phenylacetamide (60561-68-4) → α-(p-Bromphenylamino)-phenylessigsaeure (60561-76-4)

Guidance literature:

With hydrogenchloride; for 10h; Heating;

Reference yield: 42.0%

2-((p-bromophenyl)amino)-2-phenylacetonitrile (7510-78-3) → α-(p-Bromphenylamino)-phenylessigsaeure (60561-76-4)

Guidance literature:

With hydrogenchloride; for 10h; Heating;

Reference yield:

4-bromoaniline hydrochloride (624-19-1) → α-(p-Bromphenylamino)-phenylessigsaeure (60561-76-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / H₂O; ethanol / 1.) 1 h cooling; 2.) 20 h. room temperature

2: 55 percent / conc. H₂SO₄ / 4 h / Ambient temperature

3: 90 percent / 20percent HCl / 10 h / Heating

With hydrogenchloride; sulfuric acid; In ethanol; water;

upstream raw materials:

2-(4-bromophenyl)-2-phenylacetamide

2-((p-bromophenyl)amino)-2-phenylacetonitrile

4-bromoaniline hydrochloride

benzaldehyde

Downstream raw materials:

C₁₄H₉BrN₂O₂